3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide

C20H24F3N7O2S2 — CID 178144776

About 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide

3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide (PubChem CID 178144776) has the molecular formula C20H24F3N7O2S2 and a molecular weight of 515.59 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide.

Molecular Properties

• Compound Name: 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
• PubChem CID: 178144776
• Molecular Formula: C20H24F3N7O2S2
• Molecular Weight: 515.59 g/mol
• Exact Mass: 515.14
• IUPAC Name: 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
• SMILES: C[C@H]1CN(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)F)s4)c(F)nc23)C[C@H](C)N1
• InChI: InChI=1S/C20H24F3N7O2S2/c1-10-7-29(8-11(2)24-10)13-6-12(34(31,32)28-20(3)4-5-20)9-30-14(16(23)25-17(13)30)18-26-27-19(33-18)15(21)22/h6,9-11,15,24,28H,4-5,7-8H2,1-3H3/t10-,11-/m0/s1
• InChIKey: NEXTWWKKEYDLQR-QWRGUYRKSA-N
• XLogP: 2.95
• TPSA: 104.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.59
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide?

The IUPAC name of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide (CID 178144776) is 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide.

What is the SMILES notation for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide?

The canonical SMILES for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide is C[C@H]1CN(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)F)s4)c(F)nc23)C[C@H](C)N1.

What is the InChIKey of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide?

The InChIKey is NEXTWWKKEYDLQR-QWRGUYRKSA-N. The full InChI is InChI=1S/C20H24F3N7O2S2/c1-10-7-29(8-11(2)24-10)13-6-12(34(31,32)28-20(3)4-5-20)9-30-14(16(23)25-17(13)30)18-26-27-19(33-18)15(21)22/h6,9-11,15,24,28H,4-5,7-8H2,1-3H3/t10-,11-/m0/s1.

What are the key properties of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide?

3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide has a molecular weight of 515.59 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide is sourced from PubChem (CID 178144776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).